1-(2-Methyl-1H-Pyrrol-3-Yl)-Ethanone
[CAS# 6009-46-7]

Identification

• Name: 1-(2-Methyl-1H-Pyrrol-3-Yl)-Ethanone
• Synonyms: (Z)-3-(4-Methoxyphenyl)-N-[2-(3-Pyridyl)-1,3-Benzoxazol-5-Yl]Prop-2-Enamide; (Z)-3-(4-Methoxyphenyl)-N-[2-(3-Pyridyl)-1,3-Benzoxazol-5-Yl]Acrylamide; Bim-0012914.P001
• Molecular Formula: C₂₂H₁₇N₃O₃
• Molecular Weight: 371.39
• CAS Registry Number: 6009-46-7
• SMILES: C2=C(NC(=O)\C=C/C1=CC=C(OC)C=C1)C=CC3=C2N=C(O3)C4=CN=CC=C4
• InChI: 1S/C22H17N3O3/c1-27-18-8-4-15(5-9-18)6-11-21(26)24-17-7-10-20-19(13-17)25-22(28-20)16-3-2-12-23-14-16/h2-14H,1H3,(H,24,26)/b11-6-
• InChIKey: NEEKZJSLFKUTTA-WDZFZDKYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 628.098°C at 760 mmHg (Cal.)
• Flash point: 333.662°C (Cal.)